Merck
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文件

78610

Sigma-Aldrich

苯乙醛酸

purum, ≥98.0% (T)

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别名:
苯乙酮酸, 苯甲酰甲酸
线性分子式:
C6H5COCOOH
CAS号:
611-73-4
分子量:
150.13
Beilstein:
606718
EC 号:
210-278-7
MDL编号:
MFCD00002575
PubChem化学物质编号:
329768165
NACRES:
NA.22

等级

purum

质量水平

200

检测方案

≥98.0% (T)

形式

crystals

bp

84 °C/0.1 mmHg

mp

62-65 °C (lit.)
63-67 °C

溶解性

methanol: 0.1 g/mL, clear

SMILES string

OC(=O)C(=O)c1ccccc1

InChI

1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChI key

FAQJJMHZNSSFSM-UHFFFAOYSA-N

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相关类别

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险声明

H315 - H319

危险分类

Eye Irrit. 2 - Skin Irrit. 2

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

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Jesus M Aizpurua et al.
The Journal of organic chemistry, 74(17), 6691-6702 (2009-08-01)
Mechanistic details of the Mg(2+) ion-activated enantioselective reduction of methyl benzoylformate have been investigated at a B3LYP/6-31G* theory level, using peptide NADH models 1 rigidified with a beta-lactam ring. Computation of the reaction pathway revealed important structural differences between the
Ming Zhang et al.
Toxicological sciences : an official journal of the Society of Toxicology, 115(1), 295-303 (2010-02-17)
Ethylbenzene is an important industrial chemical that has recently been classified as a possible human carcinogen (International Agency of Research on Cancer class 2B), but the available data do not support the genotoxic mechanism of ethylbenzene-induced tumors in kidney. We
Caleb J Allpress et al.
Journal of the American Chemical Society, 135(2), 659-668 (2012-12-12)
Mononuclear Fe(II) complexes ([(6-Ph(2)TPA)Fe(PhC(O)C(R)C(O)Ph)]X (3-X: R = OH, X = ClO(4) or OTf; 4: R = H, X = ClO(4))) supported by the 6-Ph(2)TPA chelate ligand (6-Ph(2)TPA = N,N-bis((6-phenyl-2-pyridyl)methyl)-N-(2-pyridylmethyl)amine) and containing a β-diketonate ligand bound via a six-membered chelate ring
Sirilak Wongvijitsuk et al.
International journal of hygiene and environmental health, 214(2), 127-137 (2010-10-30)
The present study aimed to evaluate the effects of styrene exposure at levels below the recommended standards of the Threshold Limit Value (TLV-TWA(8)) of 20 ppm (ACGIH, 2004) in reinforced-fiberglass plastics workers. Study subjects comprised 50 exposed workers and 40
Sébastien Gagné
Rapid communications in mass spectrometry : RCM, 26(7), 845-852 (2012-03-01)
Ultra-performance liquid chromatography coupled with tandem mass spectrometry was used for the biological monitoring of workers occupationally exposed to solvents. The method was developed using a triple quadrupole to investigate the relevant urinary metabolites of styrene, namely mandelic acid and
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